1-[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethyl-amino]methyl]phenyl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-[[(5-methyl-4-phenyl-2-thiazolyl)-phenethylamino]methyl]phenyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-phenethylamino]methyl]benzoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[[(5-methyl-4-phenyl-thiazol-2-yl)-phenethyl-amino]methyl]benzoyl]proline Formula: C31H31N3O3S MolecularWeight: 525.66114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N4CCCC4C(=O)O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(S1)N(CCC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)N4CCCC4C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-22-28(25-11-6-3-7-12-25)32-31(38-22)33(20-18-23-9-4-2-5-10-23)21-24-14-16-26(17-15-24)29(35)34-19-8-13-27(34)30(36)37/h2-7,9-12,14-17,27H,8,13,18-21H2,1H3,(H,36,37)